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Chlorine in PDB 5c18: P97-DELTA709-728 in Complex with Atp-Gamma-S

Enzymatic activity of P97-DELTA709-728 in Complex with Atp-Gamma-S

All present enzymatic activity of P97-DELTA709-728 in Complex with Atp-Gamma-S:
3.6.4.6;

Protein crystallography data

The structure of P97-DELTA709-728 in Complex with Atp-Gamma-S, PDB code: 5c18 was solved by P.Haenzelmann, H.Schindelin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.99 / 3.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 140.330, 180.059, 255.612, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 24.9

Other elements in 5c18:

The structure of P97-DELTA709-728 in Complex with Atp-Gamma-S also contains other interesting chemical elements:

Magnesium (Mg) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the P97-DELTA709-728 in Complex with Atp-Gamma-S (pdb code 5c18). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the P97-DELTA709-728 in Complex with Atp-Gamma-S, PDB code: 5c18:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5c18

Go back to Chlorine Binding Sites List in 5c18
Chlorine binding site 1 out of 6 in the P97-DELTA709-728 in Complex with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of P97-DELTA709-728 in Complex with Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl905

b:87.8
occ:1.00
H A:ASP630 2.4 77.5 1.0
HD13 A:ILE601 2.7 0.3 1.0
HB2 A:ASP630 3.1 85.7 1.0
HD11 A:ILE601 3.1 0.3 1.0
HB2 A:ALA583 3.1 0.9 1.0
HA A:ILE629 3.2 73.2 1.0
N A:ASP630 3.2 64.6 1.0
CD1 A:ILE601 3.2 83.6 1.0
HD12 A:ILE601 3.3 0.3 1.0
HH11 A:ARG586 3.4 0.5 1.0
HA A:ALA583 3.5 0.1 1.0
HD12 A:ILE633 3.5 73.7 1.0
HB3 A:ASP630 3.7 85.7 1.0
CB A:ASP630 3.7 71.4 1.0
HD11 A:ILE633 3.7 73.7 1.0
HG23 A:ILE629 3.9 73.9 1.0
CB A:ALA583 3.9 90.8 1.0
HD3 A:ARG586 4.0 0.8 1.0
CA A:ILE629 4.0 61.0 1.0
O A:ILE628 4.0 55.6 1.0
CA A:ASP630 4.0 63.8 1.0
C A:ILE629 4.0 62.8 1.0
NH1 A:ARG586 4.1 0.9 1.0
CD1 A:ILE633 4.1 61.4 1.0
HG22 A:ILE629 4.1 73.9 1.0
CA A:ALA583 4.1 91.7 1.0
HB1 A:ALA583 4.1 0.9 1.0
HH12 A:ARG586 4.2 0.5 1.0
HG22 A:ILE582 4.2 95.4 1.0
HG21 A:ILE601 4.3 89.3 1.0
CG2 A:ILE629 4.4 61.6 1.0
N A:ALA583 4.4 90.2 1.0
H A:ALA583 4.4 0.2 1.0
HA A:ASP630 4.6 76.6 1.0
HD13 A:ILE633 4.7 73.7 1.0
CG1 A:ILE601 4.7 78.1 1.0
HB3 A:ALA583 4.7 0.9 1.0
HD2 A:ARG586 4.7 0.8 1.0
HB A:ILE582 4.8 97.7 1.0
HB3 A:LEU579 4.8 72.3 1.0
CD A:ARG586 4.8 1.0 1.0
O A:LEU579 4.8 69.2 1.0
HG12 A:ILE601 4.9 93.7 1.0
CB A:ILE629 4.9 63.9 1.0
C A:ILE628 4.9 62.3 1.0
HG21 A:ILE582 4.9 95.4 1.0
N A:ILE629 5.0 64.6 1.0
HG13 A:ILE633 5.0 67.6 1.0
CG2 A:ILE582 5.0 79.5 1.0

Chlorine binding site 2 out of 6 in 5c18

Go back to Chlorine Binding Sites List in 5c18
Chlorine binding site 2 out of 6 in the P97-DELTA709-728 in Complex with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of P97-DELTA709-728 in Complex with Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl905

b:92.5
occ:1.00
H B:ASP630 2.8 87.8 1.0
HB2 B:ASP630 2.9 90.8 1.0
HH21 B:ARG586 3.0 0.2 1.0
HG21 B:ILE601 3.3 0.0 1.0
HB2 B:ALA583 3.5 92.3 1.0
HA B:ALA583 3.5 93.5 1.0
N B:ASP630 3.6 73.2 1.0
HG22 B:ILE582 3.6 83.8 1.0
HD11 B:ILE633 3.6 76.0 1.0
CB B:ASP630 3.7 75.6 1.0
HD3 B:ARG586 3.7 0.2 1.0
NH2 B:ARG586 3.7 0.2 1.0
HB3 B:ASP630 3.8 90.8 1.0
HA B:ILE629 3.8 86.8 1.0
HD12 B:ILE633 3.9 76.0 1.0
HH22 B:ARG586 3.9 0.2 1.0
CA B:ALA583 4.2 78.0 1.0
HD2 B:ARG586 4.2 0.2 1.0
HG21 B:ILE582 4.2 83.8 1.0
CD1 B:ILE633 4.2 63.3 1.0
CB B:ALA583 4.2 76.9 1.0
CG2 B:ILE601 4.2 83.3 1.0
CA B:ASP630 4.3 72.0 1.0
CG2 B:ILE582 4.3 69.8 1.0
N B:ALA583 4.4 71.7 1.0
CD B:ARG586 4.4 0.2 1.0
O B:ILE628 4.4 75.5 1.0
H B:ALA583 4.4 86.0 1.0
HG23 B:ILE629 4.4 83.2 1.0
HG12 B:ILE601 4.4 0.8 1.0
HB1 B:ALA583 4.5 92.3 1.0
HB B:ILE582 4.5 84.9 1.0
HG22 B:ILE601 4.5 0.0 1.0
C B:ILE629 4.5 72.9 1.0
CA B:ILE629 4.6 72.3 1.0
HD13 B:ILE601 4.7 0.3 1.0
HB B:ILE601 4.7 99.4 1.0
HA B:ASP630 4.7 86.3 1.0
HG22 B:ILE629 4.7 83.2 1.0
HD13 B:ILE633 4.8 76.0 1.0
HG23 B:ILE601 4.8 0.0 1.0
CZ B:ARG586 4.9 1.0 1.0
CB B:ILE601 4.9 82.8 1.0
O B:LEU579 4.9 76.4 1.0
CG B:ASP630 4.9 79.0 1.0
C B:ILE582 5.0 74.8 1.0
CB B:ILE582 5.0 70.8 1.0
HB3 B:LEU579 5.0 66.8 1.0

Chlorine binding site 3 out of 6 in 5c18

Go back to Chlorine Binding Sites List in 5c18
Chlorine binding site 3 out of 6 in the P97-DELTA709-728 in Complex with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of P97-DELTA709-728 in Complex with Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl905

b:1.0
occ:1.00
H C:ASP630 2.4 96.4 1.0
HB2 C:ASP630 2.8 0.3 1.0
HD13 C:ILE601 2.9 0.7 1.0
HB2 C:ALA583 3.0 0.7 1.0
HD11 C:ILE601 3.1 0.7 1.0
N C:ASP630 3.2 80.3 1.0
HH21 C:ARG586 3.2 0.9 1.0
CD1 C:ILE601 3.3 0.6 1.0
HA C:ILE629 3.3 0.6 1.0
HD12 C:ILE601 3.3 0.7 1.0
HA C:ALA583 3.4 0.8 1.0
CB C:ASP630 3.6 85.2 1.0
CB C:ALA583 3.7 95.6 1.0
HB3 C:ASP630 3.8 0.3 1.0
O C:ILE628 3.8 91.8 1.0
HB1 C:ALA583 3.9 0.7 1.0
CA C:ASP630 3.9 82.3 1.0
NH2 C:ARG586 4.0 0.1 1.0
CA C:ALA583 4.0 96.5 1.0
C C:ILE629 4.0 86.1 1.0
HD3 C:ARG586 4.0 0.3 1.0
CA C:ILE629 4.1 93.0 1.0
HH22 C:ARG586 4.1 0.9 1.0
HD12 C:ILE633 4.2 76.9 1.0
HG23 C:ILE629 4.2 0.3 1.0
HD2 C:ARG586 4.3 0.3 1.0
HG22 C:ILE582 4.3 95.3 1.0
HA C:ASP630 4.3 98.8 1.0
N C:ALA583 4.4 94.5 1.0
H C:ALA583 4.4 0.4 1.0
HD11 C:ILE633 4.4 76.9 1.0
HG21 C:ILE601 4.5 0.3 1.0
HB3 C:ALA583 4.5 0.7 1.0
CD C:ARG586 4.6 0.8 1.0
HG22 C:ILE629 4.6 0.3 1.0
CG1 C:ILE601 4.8 0.4 1.0
CD1 C:ILE633 4.8 64.0 1.0
CG2 C:ILE629 4.8 0.1 1.0
C C:ILE628 4.8 93.0 1.0
HB C:ILE582 4.9 0.1 1.0
CG C:ASP630 4.9 89.9 1.0
N C:ILE629 4.9 94.8 1.0
HG12 C:ILE601 5.0 0.2 1.0
O C:LEU579 5.0 85.4 1.0

Chlorine binding site 4 out of 6 in 5c18

Go back to Chlorine Binding Sites List in 5c18
Chlorine binding site 4 out of 6 in the P97-DELTA709-728 in Complex with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of P97-DELTA709-728 in Complex with Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl905

b:99.5
occ:1.00
H D:ASP630 2.5 0.4 1.0
HD13 D:ILE601 2.7 0.7 1.0
HB2 D:ALA583 2.9 0.2 1.0
HB2 D:ASP630 2.9 0.9 1.0
HD12 D:ILE629 3.0 0.2 1.0
HD11 D:ILE601 3.0 0.7 1.0
HA D:ILE629 3.2 0.8 1.0
N D:ASP630 3.2 0.3 1.0
CD1 D:ILE601 3.2 0.2 1.0
HH21 D:ARG586 3.3 1.0 1.0
HA D:ALA583 3.3 0.3 1.0
HD12 D:ILE601 3.6 0.7 1.0
CB D:ALA583 3.6 0.0 1.0
CB D:ASP630 3.7 0.9 1.0
HB3 D:ASP630 3.7 0.9 1.0
HD11 D:ILE633 3.8 0.7 1.0
HB1 D:ALA583 3.8 0.2 1.0
CD1 D:ILE629 3.9 96.9 1.0
HE D:ARG586 3.9 0.3 1.0
HD12 D:ILE633 3.9 0.7 1.0
CA D:ALA583 3.9 0.2 1.0
CA D:ASP630 4.0 0.7 1.0
CA D:ILE629 4.0 0.2 1.0
HD11 D:ILE629 4.0 0.2 1.0
C D:ILE629 4.1 0.5 1.0
NH2 D:ARG586 4.1 0.8 1.0
O D:ILE628 4.1 0.3 1.0
HG13 D:ILE629 4.2 0.0 1.0
HG22 D:ILE582 4.2 0.4 1.0
H D:ALA583 4.3 0.9 1.0
N D:ALA583 4.3 0.9 1.0
CD1 D:ILE633 4.3 89.7 1.0
HG21 D:ILE601 4.4 0.2 1.0
HA D:ASP630 4.4 0.9 1.0
HB3 D:ALA583 4.5 0.2 1.0
HD13 D:ILE629 4.5 0.2 1.0
CG1 D:ILE629 4.5 99.2 1.0
CG1 D:ILE601 4.6 0.9 1.0
NE D:ARG586 4.6 0.6 1.0
HH22 D:ARG586 4.6 1.0 1.0
HG12 D:ILE601 4.6 0.8 1.0
HD13 D:ILE633 4.8 0.7 1.0
O D:LEU579 4.8 92.2 1.0
CZ D:ARG586 4.8 0.3 1.0
HB D:ILE582 4.9 0.1 1.0
CB D:ILE629 4.9 0.2 1.0
HB3 D:LEU579 4.9 94.2 1.0
C D:ILE628 5.0 0.7 1.0
CG D:ASP630 5.0 0.5 1.0
HG21 D:ILE582 5.0 0.4 1.0
CG2 D:ILE582 5.0 92.0 1.0
N D:ILE629 5.0 0.2 1.0

Chlorine binding site 5 out of 6 in 5c18

Go back to Chlorine Binding Sites List in 5c18
Chlorine binding site 5 out of 6 in the P97-DELTA709-728 in Complex with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of P97-DELTA709-728 in Complex with Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl905

b:93.8
occ:1.00
H E:ASP630 2.3 0.7 1.0
HD12 E:ILE629 2.8 0.4 1.0
HD13 E:ILE601 2.9 0.8 1.0
HB2 E:ASP630 3.0 0.6 1.0
HA E:ILE629 3.0 0.1 1.0
HB2 E:ALA583 3.0 0.5 1.0
N E:ASP630 3.1 84.8 1.0
HD11 E:ILE601 3.1 0.8 1.0
CD1 E:ILE601 3.4 0.5 1.0
HA E:ALA583 3.6 0.9 1.0
CD1 E:ILE629 3.6 96.2 1.0
HD12 E:ILE633 3.6 0.3 1.0
HD12 E:ILE601 3.7 0.8 1.0
CB E:ASP630 3.7 91.3 1.0
HD11 E:ILE633 3.8 0.3 1.0
HB3 E:ASP630 3.8 0.6 1.0
HD11 E:ILE629 3.8 0.4 1.0
HG13 E:ILE629 3.8 0.1 1.0
CA E:ILE629 3.8 83.4 1.0
CB E:ALA583 3.8 89.5 1.0
C E:ILE629 3.9 81.1 1.0
CA E:ASP630 4.0 87.0 1.0
O E:ILE628 4.1 80.3 1.0
HB1 E:ALA583 4.1 0.5 1.0
CA E:ALA583 4.1 87.5 1.0
CD1 E:ILE633 4.1 94.5 1.0
HH11 E:ARG586 4.2 0.0 1.0
CG1 E:ILE629 4.2 96.8 1.0
H E:ALA583 4.3 0.3 1.0
HD13 E:ILE629 4.3 0.4 1.0
N E:ALA583 4.4 85.2 1.0
HG22 E:ILE582 4.4 99.0 1.0
HA E:ASP630 4.4 0.4 1.0
HD3 E:ARG586 4.5 0.5 1.0
HB3 E:LEU579 4.6 85.8 1.0
HG21 E:ILE601 4.6 0.1 1.0
HB3 E:ALA583 4.6 0.5 1.0
O E:LEU579 4.6 83.1 1.0
HB E:ILE582 4.6 97.6 1.0
CB E:ILE629 4.7 98.9 1.0
HD13 E:ILE633 4.7 0.3 1.0
CG1 E:ILE601 4.8 98.1 1.0
N E:ILE629 4.8 81.7 1.0
C E:ILE628 4.9 82.9 1.0
HG12 E:ILE601 4.9 0.7 1.0
NH1 E:ARG586 4.9 0.5 1.0
CG E:ASP630 5.0 95.0 1.0

Chlorine binding site 6 out of 6 in 5c18

Go back to Chlorine Binding Sites List in 5c18
Chlorine binding site 6 out of 6 in the P97-DELTA709-728 in Complex with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of P97-DELTA709-728 in Complex with Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl905

b:98.3
occ:1.00
H F:ASP630 2.4 85.3 1.0
HB2 F:ALA583 2.8 0.9 1.0
HD13 F:ILE601 2.8 1.0 1.0
HB2 F:ASP630 2.9 96.5 1.0
HD11 F:ILE601 3.0 1.0 1.0
HD12 F:ILE629 3.1 0.7 1.0
N F:ASP630 3.2 71.1 1.0
HA F:ILE629 3.2 75.3 1.0
CD1 F:ILE601 3.3 95.8 1.0
HA F:ALA583 3.4 0.8 1.0
HD12 F:ILE601 3.5 1.0 1.0
CB F:ALA583 3.6 92.4 1.0
CB F:ASP630 3.6 80.4 1.0
HH11 F:ARG586 3.7 0.3 1.0
HB3 F:ASP630 3.7 96.5 1.0
HB1 F:ALA583 3.8 0.9 1.0
HD12 F:ILE633 3.8 95.3 1.0
HD11 F:ILE633 3.9 95.3 1.0
CA F:ALA583 3.9 93.2 1.0
CD1 F:ILE629 4.0 85.6 1.0
CA F:ASP630 4.0 76.0 1.0
CA F:ILE629 4.0 62.8 1.0
C F:ILE629 4.0 62.8 1.0
O F:ILE628 4.1 71.9 1.0
HG22 F:ILE582 4.1 81.1 1.0
H F:ALA583 4.2 0.0 1.0
HD11 F:ILE629 4.2 0.7 1.0
N F:ALA583 4.3 89.2 1.0
HG13 F:ILE629 4.3 0.9 1.0
CD1 F:ILE633 4.3 79.4 1.0
HA F:ASP630 4.4 91.2 1.0
HD3 F:ARG586 4.4 1.0 1.0
HB3 F:ALA583 4.4 0.9 1.0
HD2 F:ARG586 4.5 1.0 1.0
NH1 F:ARG586 4.5 0.6 1.0
HD13 F:ILE629 4.6 0.7 1.0
CG1 F:ILE629 4.6 84.0 1.0
HG21 F:ILE601 4.6 0.0 1.0
HB3 F:LEU579 4.6 67.5 1.0
HH12 F:ARG586 4.7 0.3 1.0
CG1 F:ILE601 4.7 92.2 1.0
O F:LEU579 4.7 71.5 1.0
HG12 F:ILE601 4.8 0.7 1.0
HD13 F:ILE633 4.9 95.3 1.0
HG21 F:ILE582 4.9 81.1 1.0
C F:ILE628 4.9 69.7 1.0
CG2 F:ILE582 4.9 67.5 1.0
CD F:ARG586 4.9 0.1 1.0
HB F:ILE582 4.9 84.6 1.0
CB F:ILE629 4.9 80.6 1.0
N F:ILE629 4.9 66.5 1.0
CG F:ASP630 5.0 85.0 1.0

Reference:

P.Hanzelmann, H.Schindelin. Structural Basis of Atp Hydrolysis and Intersubunit Signaling in the Aaa+ Atpase P97. Structure V. 24 127 2016.
ISSN: ISSN 0969-2126
PubMed: 26712278
DOI: 10.1016/J.STR.2015.10.026
Page generated: Sat Dec 12 11:34:00 2020

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